Geometry & MOs

Info

ID:

441853

PubChem CID:

135245936

Reduced:

O2F5N5H20C25 (1)

Stoich.:

A2B5C5D20E25 (1)

Weight, g/mol:

583.200666

ΔHf, kcal/mol:

-107.97

Dipole, Da:

1.43

IP(EA), eV:

 -9.08(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[2-[4-[(Z)-5-fluorohept-3-enoxy]phenyl]ethynyl]pyridin-2-yl]-3-(tetrazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CN(CC(C1=C(C=C(C=C1)F)F)(C(C2=NC=C(C=C2)C#CCOC3=CC=C(C=C3)F)(F)F)O)/N=N\N=C

DOS

IR

Vibrations